2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid

C160H194ClF3O41 — CID 161167700

About 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid

2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid (PubChem CID 161167700) has the molecular formula C160H194ClF3O41 and a molecular weight of 2865.72 g/mol. Its IUPAC name is 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid.

Molecular Properties

• Compound Name: 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid
• PubChem CID: 161167700
• Molecular Formula: C160H194ClF3O41
• Molecular Weight: 2865.72 g/mol
• Exact Mass: 2863.27
• IUPAC Name: 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid
• SMILES: CCCCOc1cc(C)cc(Cl)c1C(=O)O.CCCc1cc(C)cc(F)c1C(=O)O.CCCc1cc(C)ccc1C(=O)O.CCOc1cc(C)cc(C)c1C(=O)O.CCOc1cc(C)cc(OC)c1C(=O)O.COc1cc(C)cc(C)c1C(=O)O.COc1cc(C)cc(OC)c1C(=O)O.Cc1cc(F)c(C(=O)O)c(OC2CCC2)c1.Cc1ccc(C(=O)O)c(CC(C)C)c1.Cc1ccc(C(=O)O)c(OC2CC2)c1.Cc1ccc(C(=O)O)c(OC2CCC2)c1.Cc1ccc(C(=O)O)c(OC2CCC2)c1F.Cc1ccc(C(=O)O)c(OC2CCCC2)c1.Cc1ccc(C(=O)O)c(OCC(C)C)c1
• InChI: InChI=1S/C13H16O3.C12H15ClO3.2C12H13FO3.C12H14O3.C12H16O3.C12H16O2.C11H13FO2.C11H14O4.C11H12O3.C11H14O3.C11H14O2.C10H12O4.C10H12O3/c1-9-6-7-11(13(14)15)12(8-9)16-10-4-2-3-5-10;1-3-4-5-16-10-7-8(2)6-9(13)11(10)12(14)15;1-7-5-9(13)11(12(14)15)10(6-7)16-8-3-2-4-8;1-7-5-6-9(12(14)15)11(10(7)13)16-8-3-2-4-8;1-8-5-6-10(12(13)14)11(7-8)15-9-3-2-4-9;1-8(2)7-15-11-6-9(3)4-5-10(11)12(13)14;1-8(2)6-10-7-9(3)4-5-11(10)12(13)14;1-3-4-8-5-7(2)6-9(12)10(8)11(13)14;1-4-15-9-6-7(2)5-8(14-3)10(9)11(12)13;1-7-2-5-9(11(12)13)10(6-7)14-8-3-4-8;1-4-14-9-6-7(2)5-8(3)10(9)11(12)13;1-3-4-9-7-8(2)5-6-10(9)11(12)13;1-6-4-7(13-2)9(10(11)12)8(5-6)14-3;1-6-4-7(2)9(10(11)12)8(5-6)13-3/h6-8,10H,2-5H2,1H3,(H,14,15);6-7H,3-5H2,1-2H3,(H,14,15);2*5-6,8H,2-4H2,1H3,(H,14,15);5-7,9H,2-4H2,1H3,(H,13,14);4-6,8H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3,(H,13,14);5-6H,3-4H2,1-2H3,(H,13,14);5-6H,4H2,1-3H3,(H,12,13);2,5-6,8H,3-4H2,1H3,(H,12,13);5-6H,4H2,1-3H3,(H,12,13);5-7H,3-4H2,1-2H3,(H,12,13);4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,11,12)
• InChIKey: UQTOYOPKNHHJEV-UHFFFAOYSA-N
• XLogP: 36.20
• TPSA: 642.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 45
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2865.72
LogP ≤ 5	36.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid?

The IUPAC name of 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid (CID 161167700) is 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid.

What is the SMILES notation for 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid?

The canonical SMILES for 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid is CCCCOc1cc(C)cc(Cl)c1C(=O)O.CCCc1cc(C)cc(F)c1C(=O)O.CCCc1cc(C)ccc1C(=O)O.CCOc1cc(C)cc(C)c1C(=O)O.CCOc1cc(C)cc(OC)c1C(=O)O.COc1cc(C)cc(C)c1C(=O)O.COc1cc(C)cc(OC)c1C(=O)O.Cc1cc(F)c(C(=O)O)c(OC2CCC2)c1.Cc1ccc(C(=O)O)c(CC(C)C)c1.Cc1ccc(C(=O)O)c(OC2CC2)c1.Cc1ccc(C(=O)O)c(OC2CCC2)c1.Cc1ccc(C(=O)O)c(OC2CCC2)c1F.Cc1ccc(C(=O)O)c(OC2CCCC2)c1.Cc1ccc(C(=O)O)c(OCC(C)C)c1.

What is the InChIKey of 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid?

The InChIKey is UQTOYOPKNHHJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.C12H15ClO3.2C12H13FO3.C12H14O3.C12H16O3.C12H16O2.C11H13FO2.C11H14O4.C11H12O3.C11H14O3.C11H14O2.C10H12O4.C10H12O3/c1-9-6-7-11(13(14)15)12(8-9)16-10-4-2-3-5-10;1-3-4-5-16-10-7-8(2)6-9(13)11(10)12(14)15;1-7-5-9(13)11(12(14)15)10(6-7)16-8-3-2-4-8;1-7-5-6-9(12(14)15)11(10(7)13)16-8-3-2-4-8;1-8-5-6-10(12(13)14)11(7-8)15-9-3-2-4-9;1-8(2)7-15-11-6-9(3)4-5-10(11)12(13)14;1-8(2)6-10-7-9(3)4-5-11(10)12(13)14;1-3-4-8-5-7(2)6-9(12)10(8)11(13)14;1-4-15-9-6-7(2)5-8(14-3)10(9)11(12)13;1-7-2-5-9(11(12)13)10(6-7)14-8-3-4-8;1-4-14-9-6-7(2)5-8(3)10(9)11(12)13;1-3-4-9-7-8(2)5-6-10(9)11(12)13;1-6-4-7(13-2)9(10(11)12)8(5-6)14-3;1-6-4-7(2)9(10(11)12)8(5-6)13-3/h6-8,10H,2-5H2,1H3,(H,14,15);6-7H,3-5H2,1-2H3,(H,14,15);2*5-6,8H,2-4H2,1H3,(H,14,15);5-7,9H,2-4H2,1H3,(H,13,14);4-6,8H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3,(H,13,14);5-6H,3-4H2,1-2H3,(H,13,14);5-6H,4H2,1-3H3,(H,12,13);2,5-6,8H,3-4H2,1H3,(H,12,13);5-6H,4H2,1-3H3,(H,12,13);5-7H,3-4H2,1-2H3,(H,12,13);4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,11,12).

What are the key properties of 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid?

2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid has a molecular weight of 2865.72 g/mol, XLogP of 36.20, 45 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-6-chloro-4-methylbenzoic acid;2-cyclobutyloxy-3-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-6-fluoro-4-methylbenzoic acid;2-cyclobutyloxy-4-methylbenzoic acid;2-cyclopentyloxy-4-methylbenzoic acid;2-cyclopropyloxy-4-methylbenzoic acid;2,6-dimethoxy-4-methylbenzoic acid;2-ethoxy-4,6-dimethylbenzoic acid;2-ethoxy-6-methoxy-4-methylbenzoic acid;2-fluoro-4-methyl-6-propylbenzoic acid;2-methoxy-4,6-dimethylbenzoic acid;4-methyl-2-(2-methylpropoxy)benzoic acid;4-methyl-2-(2-methylpropyl)benzoic acid;4-methyl-2-propylbenzoic acid is sourced from PubChem (CID 161167700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).